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N-Benzyl-2-bromo-2-chlorohexanamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-Benzyl-2-bromo-2-chlorohexanamide
SpectraBase Compound ID Hf5xURgxwz1
InChI InChI=1S/C13H17BrClNO/c1-2-3-9-13(14,15)12(17)16-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,16,17)
InChIKey UONJTIPEDHKKQH-UHFFFAOYSA-N
Mol Weight 318.64 g/mol
Molecular Formula C13H17BrClNO
Exact Mass 317.018205 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5xxoROlmtId
Name N-Benzyl-2-bromo-2-chlorohexanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.018204870 u
Formula C13H17BrClNO
InChI InChI=1S/C13H17BrClNO/c1-2-3-9-13(14,15)12(17)16-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,16,17)
InChIKey UONJTIPEDHKKQH-UHFFFAOYSA-N
Molecular Weight 318.642 g/mol
SMILES C(C(CCCC)(Cl)Br)(=O)NCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9623